Information card for entry 4311505

Structure parameters

• Formula: C20 H40 Hg I5 Nd O5
• Calculated formula: C20 H40 Hg I5 Nd O5
• SMILES: [Nd](I)([I][Hg](I)(I)I)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Heterometallic Lanthanide Group 12 Metal Iodides
• Authors of publication: Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5659 - 5664
• a: 12.5824 ± 0.0009 Å
• b: 13.0371 ± 0.0009 Å
• c: 20.4108 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3348.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No